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5KXL
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Hen Egg White Lysozyme at 100K, Data set 2
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C, ...
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-20
公開日2016-09-07
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.198 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
6AK4
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BU of 6ak4 by Molmil
Crystal structure of human FTO in complex with small-molecule inhibitors
分子名称: (~{E})-2-cyano-~{N},~{N}-diethyl-3-[3-nitro-4,5-bis(oxidanyl)phenyl]prop-2-enamide, Alpha-ketoglutarate-dependent dioxygenase FTO,Alpha-ketoglutarate-dependent dioxygenase FTO, ZINC ION
著者Wang, Y, Cao, R, Peng, S, Zhang, W, Huang, N.
登録日2018-08-30
公開日2019-07-10
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Identification of entacapone as a chemical inhibitor of FTO mediating metabolic regulation through FOXO1.
Sci Transl Med, 11, 2019
5KXS
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Hen Egg White Lysozyme at 278K, Data set 4
分子名称: Lysozyme C, SODIUM ION
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-20
公開日2016-09-07
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
5L9J
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BU of 5l9j by Molmil
Room temperature X-ray diffraction of tetragonal HEWL. First data set (0.31 MGy)
分子名称: ACETATE ION, CHLORIDE ION, Lysozyme C
著者Castellvi, A, Juanhuix, J.
登録日2016-06-10
公開日2016-06-22
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Uridine as a new scavenger for synchrotron-based structural biology techniques.
J Synchrotron Radiat, 24, 2017
6AGQ
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BU of 6agq by Molmil
Acetyl xylan esterase from Paenibacillus sp. R4
分子名称: ZINC ION, acetyl xylan esterase
著者Park, S, Lee, C.W, Lee, J.H.
登録日2018-08-13
公開日2018-10-10
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Crystal structure and functional characterization of a cold-active acetyl xylan esterase (PbAcE) from psychrophilic soil microbe Paenibacillus sp.
PLoS ONE, 13, 2018
5KYO
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Crystal Structure of CYP101J2
分子名称: CYP101J2, PROTOPORPHYRIN IX CONTAINING FE
著者Unterweger, B, Drinkwater, N, Dumsday, G.J, McGowan, S.
登録日2016-07-22
公開日2017-01-04
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献X-ray crystal structure of cytochrome P450 monooxygenase CYP101J2 from Sphingobium yanoikuyae strain B2.
Proteins, 85, 2017
6AJJ
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BU of 6ajj by Molmil
Crystal structure of mycolic acid transporter MmpL3 from Mycobacterium smegmatis complexed with ICA38
分子名称: (CARBAMOYLMETHYL-CARBOXYMETHYL-AMINO)-ACETIC ACID, 4,6-difluoro-N-(spiro[5.5]undecan-3-yl)-1H-indole-2-carboxamide, Drug exporters of the RND superfamily-like protein,Endolysin, ...
著者Zhang, B, Li, J, Yang, X.L, Wu, L.J, Yang, H.T, Rao, Z.H.
登録日2018-08-27
公開日2018-12-26
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.794 Å)
主引用文献Crystal Structures of Membrane Transporter MmpL3, an Anti-TB Drug Target.
Cell, 176, 2019
6TO4
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BU of 6to4 by Molmil
Imine Reductase from Myxococcus stipitatus in complex with NADP+
分子名称: Coenzyme F420-dependent NADP oxidoreductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Sharma, M, Nestl, B, Grogan, G.
登録日2019-12-11
公開日2020-12-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.29 Å)
主引用文献Inverting the Stereoselectivity of an NADH-Dependent Imine-Reductase Variant
Chemcatchem, 2021
8IM3
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BU of 8im3 by Molmil
Crystal structure of human HPPD complexed with compound a10
分子名称: 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION, [1,3-diethyl-2,2-bis(oxidanylidene)-2$l^{6},1,3-benzothiadiazol-5-yl]-(1-methyl-5-oxidanyl-pyrazol-4-yl)methanone
著者Dong, J, Lin, H.-Y.
登録日2023-03-05
公開日2023-10-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.78 Å)
主引用文献Structure-based discovery of pyrazole-benzothiadiazole hybrid as human HPPD inhibitors.
Structure, 31, 2023
6TOY
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BU of 6toy by Molmil
Crystal structure of Bacillus paralicheniformis wild-type alpha-amylase
分子名称: ACETIC ACID, Amylase, CALCIUM ION, ...
著者Rozeboom, H.J, Janssen, D.B.
登録日2019-12-12
公開日2020-10-14
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Characterization of the starch surface binding site on Bacillus paralicheniformis alpha-amylase.
Int.J.Biol.Macromol., 165, 2020
5L1G
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BU of 5l1g by Molmil
AMPA subtype ionotropic glutamate receptor GluA2 in complex with GYKI-Br
分子名称: (8R)-5-(4-amino-3-bromophenyl)-N,8-dimethyl-8,9-dihydro-2H,7H-[1,3]dioxolo[4,5-h][2,3]benzodiazepine-7-carboxamide, 2-acetamido-2-deoxy-beta-D-glucopyranose, Glutamate receptor 2
著者Yelshanskaya, M.V, Singh, A.K, Sampson, J.M, Sobolevsky, A.I.
登録日2016-07-29
公開日2016-10-19
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (4.507 Å)
主引用文献Structural Bases of Noncompetitive Inhibition of AMPA-Subtype Ionotropic Glutamate Receptors by Antiepileptic Drugs.
Neuron, 91, 2016
1EBH
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BU of 1ebh by Molmil
OCTAHEDRAL COORDINATION AT THE HIGH AFFINITY METAL SITE IN ENOLASE; CRYSTALLOGRAPHIC ANALYSIS OF THE MG++-ENZYME FROM YEAST AT 1.9 ANGSTROMS RESOLUTION
分子名称: CHLORIDE ION, ENOLASE, MAGNESIUM ION
著者Wedekind, J.E, Reed, G.H, Rayment, I.
登録日1994-11-01
公開日1995-04-27
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Octahedral coordination at the high-affinity metal site in enolase: crystallographic analysis of the MgII--enzyme complex from yeast at 1.9 A resolution.
Biochemistry, 34, 1995
7ZU6
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BU of 7zu6 by Molmil
Polyoxidovanadate interaction with proteins: crystal structure of lysozyme bound to tetra-vanadate ion (structure 1)
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CYCLO-TETRAMETAVANADATE, Lysozyme, ...
著者Tito, G, Merlino, A, Ferraro, G.
登録日2022-05-11
公開日2023-05-24
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (1.183 Å)
主引用文献Stabilization and Binding of [V 4 O 12 ] 4- and Unprecedented [V 20 O 54 (NO 3 )] n- to Lysozyme upon Loss of Ligands and Oxidation of the Potential Drug V IV O(acetylacetonato) 2.
Angew.Chem.Int.Ed.Engl., 62, 2023
3NWT
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BU of 3nwt by Molmil
Crystal structure of the N-terminal domain of the yeast telomere-binding and telomerase regulatory protein Cdc13
分子名称: Cell division control protein 13
著者Mitchell, M.T, Smith, J.S, Mason, M, Harper, S, Speicher, D.W, Johnson, F.B, Skordalakes, E.
登録日2010-07-10
公開日2010-09-22
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Cdc13 N-terminal dimerization, DNA binding, and telomere length regulation.
Mol.Cell.Biol., 30, 2010
6KQB
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BU of 6kqb by Molmil
A long chain secondary alcohol dehydrogenase of Micrococcus luteus
分子名称: 3-hydroxybutyryl-CoA dehydrogenase
著者Kim, H.J, Kim, J.S.
登録日2019-08-16
公開日2020-08-19
最終更新日2023-11-22
実験手法X-RAY DIFFRACTION (2.261 Å)
主引用文献Cofactor specificity engineering of a long-chain secondary alcohol dehydrogenase from Micrococcus luteus for redox-neutral biotransformation of fatty acids.
Chem.Commun.(Camb.), 55, 2019
8IM2
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BU of 8im2 by Molmil
Crystal structure of human HPPD complexed with NTBC
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 2-{HYDROXY[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHYLENE}CYCLOHEXANE-1,3-DIONE, 4-hydroxyphenylpyruvate dioxygenase, ...
著者Dong, J, Lin, H.-Y, Yang, G.-F.
登録日2023-03-05
公開日2023-10-18
最終更新日2023-12-27
実験手法X-RAY DIFFRACTION (2.81 Å)
主引用文献Structure-based discovery of pyrazole-benzothiadiazole hybrid as human HPPD inhibitors.
Structure, 31, 2023
5KXO
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BU of 5kxo by Molmil
Hen Egg White Lysozyme at 278K, Data set 1
分子名称: Lysozyme C, SODIUM ION
著者Russi, S, Gonzalez, A, Kenner, L.R, Keedy, D.A, Fraser, J.S, van den Bedem, H.
登録日2016-07-20
公開日2016-09-07
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.2 Å)
主引用文献Conformational variation of proteins at room temperature is not dominated by radiation damage.
J Synchrotron Radiat, 24, 2017
3NXT
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BU of 3nxt by Molmil
Preferential Selection of Isomer Binding from Chiral Mixtures: Alternate Binding Modes Observed for the E-and Z-isomers of a Series of 5-substituted 2,4-diaminofuro[2m,3-d]pyrimidines as Ternary Complexes with NADPH and Human Dihydrofolate Reductase
分子名称: 5-[(E)-2-cyclopropyl-2-(2-methoxyphenyl)ethenyl]furo[2,3-d]pyrimidine-2,4-diamine, Dihydrofolate reductase, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
著者Cody, V.
登録日2010-07-14
公開日2010-12-01
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Preferential selection of isomer binding from chiral mixtures: alternate binding modes observed for the E and Z isomers of a series of 5-substituted 2,4-diaminofuro[2,3-d]pyrimidines as ternary complexes with NADPH and human dihydrofolate reductase.
Acta Crystallogr.,Sect.D, 66, 2010
5L51
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Menthone neomenthol reductase from Mentha piperita
分子名称: (-)-menthone:(+)-neomenthol reductase
著者Karuppiah, V, Toogood, H.S, Leys, D, Scrutton, N.S.
登録日2016-05-27
公開日2016-08-31
最終更新日2024-01-10
実験手法X-RAY DIFFRACTION (2.66 Å)
主引用文献Pinpointing a Mechanistic Switch Between Ketoreduction and "Ene" Reduction in Short-Chain Dehydrogenases/Reductases.
Angew.Chem.Int.Ed.Engl., 55, 2016
5L58
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BU of 5l58 by Molmil
Crystal structure of Iso-citrate Dehydrogenase 1 [IDH1 (R132H)] in complex with a novel inhibitor (Compound 2)
分子名称: 2-[(3~{R})-1-[6-cyclohexylsulfanyl-5-[[(1~{R},3~{S})-5-oxidanyl-2-adamantyl]carbamoyl]pyridin-2-yl]pyrrolidin-3-yl]ethanoic acid, Isocitrate dehydrogenase [NADP] cytoplasmic, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
著者Levy, C.
登録日2016-05-28
公開日2016-12-14
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (3.04 Å)
主引用文献Discovery and Optimization of Allosteric Inhibitors of Mutant Isocitrate Dehydrogenase 1 (R132H IDH1) Displaying Activity in Human Acute Myeloid Leukemia Cells.
J.Med.Chem., 59, 2016
6GZP
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BU of 6gzp by Molmil
Llama nanobody PorM_02 structure determined at room temperature by in-situ diffraction in ChipX microfluidic device
分子名称: Nanobody
著者Roche, J, Gaubert, A, Desmyter, A, De Wijn, R, Sauter, C, Roussel, A.
登録日2018-07-04
公開日2018-07-18
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献A simple and versatile microfluidic device for efficient biomacromolecule crystallization and structural analysis by serial crystallography.
Iucrj, 6, 2019
6KRI
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BU of 6kri by Molmil
Crystal Structure of Acyl-CoA Dehydrogenase FadE5 from Mycobacteria smegmatis with product released
分子名称: Acyl-CoA dehydrogenase, FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION
著者Liu, X, Chen, X.B.
登録日2019-08-21
公開日2020-07-01
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.604 Å)
主引用文献Structural basis for the broad substrate specificity of two acyl-CoA dehydrogenases FadE5 from mycobacteria.
Proc.Natl.Acad.Sci.USA, 117, 2020
8CKN
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Cytochrome P450 CYP143A1 (Rv1785c) from Mycobacterium tuberculosis
分子名称: CHLORIDE ION, DI(HYDROXYETHYL)ETHER, GLYCEROL, ...
著者Selvam, I.R.
登録日2023-02-16
公開日2024-02-28
実験手法X-RAY DIFFRACTION (1.54 Å)
主引用文献1.54 Angstrom structure of cytochrome P450 CYP143A1 (Rv1785c) from Mycobacterium tuberculosis
To Be Published
7KH5
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Hen Egg White Lysozyme in complex with tetrabromoterephthalic acid
分子名称: 2,3,5,6-tetrabromobenzene-1,4-dicarboxylic acid, Lysozyme C
著者Truong, J, Nguyen, S.
登録日2020-10-20
公開日2021-04-28
最終更新日2021-05-19
実験手法X-RAY DIFFRACTION (1.295 Å)
主引用文献Simplified heavy-atom derivatization of protein structures via co-crystallization with the MAD tetragon tetrabromoterephthalic acid.
Acta Crystallogr.,Sect.F, 77, 2021
1EL2
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SOLUTION STRUCTURE OF A MODIFIED HUMAN TELOMERE FRAGMENT (STRUCTURE "A")
分子名称: 5'-D(*CP*CP*CP*TP*AP*AP*(5CM)P*CP*CP*TP*AP*AP*CP*CP*CP*UP*AP*AP*CP*CP*CP*T)-3'
著者Phan, A.T, Gueron, M, Leroy, J.-L.
登録日2000-03-13
公開日2000-03-27
最終更新日2024-05-22
実験手法SOLUTION NMR
主引用文献The solution structure and internal motions of a fragment of the cytidine-rich strand of the human telomere.
J.Mol.Biol., 299, 2000

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